4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one

C11H18N4O3S2 — CID 103363215

IUPAC4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one
SMILESCCCS(=O)(=O)c1c(N)nsc1N1CCCNC(=O)C1
InChIInChI=1S/C11H18N4O3S2/c1-2-6-20(17,18)9-10(12)14-19-11(9)15-5-3-4-13-8(16)7-15/h2-7H2,1H3,(H2,12,14)(H,13,16)
InChIKeyXTSNXNPSDDNNEO-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.24
Rot. Bonds4

About 4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one

4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one (PubChem CID 103363215) has the molecular formula C11H18N4O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one
PubChem CID103363215
Molecular FormulaC11H18N4O3S2
Molecular Weight318.42 g/mol
Exact Mass318.08
IUPAC Name4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one
SMILESCCCS(=O)(=O)c1c(N)nsc1N1CCCNC(=O)C1
InChIInChI=1S/C11H18N4O3S2/c1-2-6-20(17,18)9-10(12)14-19-11(9)15-5-3-4-13-8(16)7-15/h2-7H2,1H3,(H2,12,14)(H,13,16)
InChIKeyXTSNXNPSDDNNEO-UHFFFAOYSA-N
XLogP0.24
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
CID 103359090
5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
CID 103361947
4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103365809
4-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,4-diazepan-2-one
CID 103349465
4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103362141
2-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103365086
4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103360501
4-ethylsulfonyl-5-(3-methoxypiperidin-1-yl)-1,2-thiazol-3-amine
CID 103365873
4-ethylsulfonyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-3-amine
CID 103359106
4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103349871
4-methylsulfonyl-5-(4-propan-2-ylazepan-1-yl)-1,2-thiazol-3-amine
CID 103382069
5-N-(1-cyclobutylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365777

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one?
The IUPAC name of 4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one (CID 103363215) is 4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one is CCCS(=O)(=O)c1c(N)nsc1N1CCCNC(=O)C1.
What is the InChIKey of 4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one?
The InChIKey is XTSNXNPSDDNNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S2/c1-2-6-20(17,18)9-10(12)14-19-11(9)15-5-3-4-13-8(16)7-15/h2-7H2,1H3,(H2,12,14)(H,13,16).
What are the key properties of 4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one?
4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one has a molecular weight of 318.42 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one is sourced from PubChem (CID 103363215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).